2-[4-[(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(6,7-dimethoxy-4-oxo-quinazolin-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(6,7-dimethoxy-4-oxo-3-quinazolinyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(6,7-dimethoxy-4-oxoquinazolin-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(4-keto-6,7-dimethoxy-quinazolin-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C22H24N5O5S+ MolecularWeight: 470.52146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)OC

InChI

InChI=1S/C22H23N5O5S/c1-31-19-11-17-18(12-20(19)32-2)24-14-26(22(17)28)15-25-7-9-27(10-8-25)33(29,30)21-6-4-3-5-16(21)13-23/h3-6,11-12,14H,7-10,15H2,1-2H3/p+1